SCHEMBL8908235

SCHEMBL8908235

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)NCC#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.41
NAAA Q02083 2/20 0.40
MLYCD O95822 1/20 0.39
MMP1 P03956 1/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLK1 P53350 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
CTSB P07858 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4766743 0.85 L3MBTL1 (0.46) L3MBTL1NAAAMLYCDMMP1CA2
SCHEMBL4772916 0.84 L3MBTL1 (0.56) L3MBTL1NAMPTNAAAMLYCDCA2
SCHEMBL8907409 0.81 KDM4E (0.51) L3MBTL1NAAAMLYCDMMP1CA2
SCHEMBL961840 0.80 MAPT (0.47) L3MBTL1CA2PLK1
SCHEMBL4769427 0.80 PLK1 (0.58) L3MBTL1CA2SMN1; SMN2PLK1
SCHEMBL9601827 0.77 MMP1 (0.44) L3MBTL1NAAAMLYCDMMP1SMN1; SMN2
SCHEMBL6288870 0.76 BDKRB2 (0.44)
SCHEMBL1875647 0.75 PLK1 (0.56) PLK1THRATHRB
SCHEMBL2480571 0.75 RARB (0.50)
SCHEMBL28435445 0.75 KMT2A (0.44) L3MBTL1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5609848-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1997-03-11 US disclosed
US-5213787-A RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-05-25 US disclosed
EP-0203764-B1 RADIOHALOGENATED SMALL MOLECULES FOR PROTEIN LABELING NEORX CORPORATION (US) 1993-03-24 EP disclosed
US-5045303-A Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1991-09-03 US disclosed
US-4885153-A Radiohalogenated for proteins NEORX CORPORATION (US) 1989-12-05 US disclosed
EP-0203764-A2 Radiohalogenated small molecules for protein labeling NEORX CORPORATION (US) 1986-12-03 EP disclosed